3DRO

crystal structure of the hiv-1 cross neutralizing antibody 2f5 in complex with gp41 peptide elleldkwaslwn grown in ammonium sulfate

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 24
  • Norm. En. per Res.: -5.0715
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-11.3645	10.8616	-484.89	-485.3929	186	20	15	18800	3	23	20
A-P	-19.6522	-15.8311	-86.2339	-121.7172	24	10	3	3103	0	5	3
B-P	-5.0939	-26.3299	-57.1801	-88.604	30	4	0	2282	7	10	7

Interface residues

• A-B: ALA100B, ALA125B, ALA130A, ALA136B, ALA137B, ALA168B, ALA1A, ALA32A, ALA34A, ALA44B, ALA49B, ALA51A, ALA93B, ARG142A, ARG1B, ARG38B, ARG58B, ARG95B, ARG96B, ASN100B, ASN137A, ASN138A, ASN158A, ASP101B, ASP122A, ASP144B, ASP167A, ASP170A, ASP50A, ASP56B, CYS134A, CYS140B, CYS88A, CYS92B, GLN105B, GLN124A, GLN160A, GLN171B, GLN38A, GLN39B, GLN45A, GLN6A, GLN89A, GLN90A, GLU123A, GLU161A, GLU165A, GLU46B, GLU55A, GLU6B, GLY100A, GLY100B, GLY101A, GLY104B, GLY106B, GLY134B, GLY139B, GLY157A, GLY162B, GLY35B, GLY41A, GLY42B, GLY57A, GLY99A, HIS164B, HIS92A, HIS94B, HIS96A, ILE117A, ILE37B, ILE48A, ILE50B, ILE51B, LEU124B, LEU125A, LEU135A, LEU136A, LEU138B, LEU141B, LEU170B, LEU175A, LEU175B, LEU178B, LEU179A, LEU181A, LEU189B, LEU2A, LEU33A, LEU45B, LEU46A, LEU47A, LEU48B, LEU54A, LEU63B, LEU91A, LYS126A, LYS143B, LYS169A, LYS209B, LYS43B, LYS57B, MET100B, PHE116A, PHE118A, PHE122B, PHE139A, PHE166B, PHE209A, PHE91B, PHE93A, PHE98A, PRO100B, PRO119A, PRO120A, PRO123B, PRO126B, PRO167B, PRO40A, PRO43A, PRO44A, PRO61B, PRO95A, SER114A, SER120B, SER121A, SER127A, SER131A, SER159A, SER161B, SER162A, SER172B, SER173B, SER174A, SER176A, SER177A, SER177B, SER179B, SER180B, SER186B, SER31A, SER42A, SER52A, SER53A, SER56A, SER60B, SER62B, THR129A, THR135B, THR160B, THR164A, THR165B, THR172A, THR178A, THR180A, THR183B, THR30A, THR85A, THR89B, THR97A, TRP103B, TRP35A, TRP36B, TRP47B, TYR173A, TYR176B, TYR36A, TYR49A, TYR52B, TYR59B, TYR86A, TYR87A, TYR94A, VAL100B, VAL102B, VAL115A, VAL121B, VAL132A, VAL133A, VAL163A, VAL163B, VAL169B, VAL181B, VAL182B, VAL184B, VAL211B, VAL29A
• A-P: ALA1A, ALA32A, ALA8P, ASP5P, GLN27A, GLN3A, GLN90A, GLU3P, GLY28A, HIS92A, HIS96A, LEU2A, LEU2P, LEU4P, LEU91A, LYS6P, PHE93A, PRO95A, SER31A, THR30A, THR97A, TRP7P, TYR94A, VAL29A
• B-P: ALA100B, ALA8P, ARG58B, ARG95B, ARG96B, ASN100B, ASP54B, ASP55B, ASP56B, ASP5P, GLU3P, GLY100B, GLY33B, GLY35B, GLY97B, ILE50B, ILE51B, LEU2P, LEU4P, LYS57B, LYS6P, PHE32B, PRO100B, PRO61B, PRO98B, SER53B, TRP7P, TYR52B, VAL100B, VAL34B